5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid

C12H22N2O5S — CID 62032860

IUPAC5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C12H22N2O5S/c1-20(18,19)14-8-4-5-10(9-14)12(17)13-7-3-2-6-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyDMVVHAAHYWBOAK-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.03
Rot. Bonds7

About 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid

5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid (PubChem CID 62032860) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
PubChem CID62032860
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid
SMILESCS(=O)(=O)N1CCCC(C(=O)NCCCCC(=O)O)C1
InChIInChI=1S/C12H22N2O5S/c1-20(18,19)14-8-4-5-10(9-14)12(17)13-7-3-2-6-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyDMVVHAAHYWBOAK-UHFFFAOYSA-N
XLogP0.03
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7030670
methyl 3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoate
CID 60729585
N-(3-methylbutyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 3261210
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 4066550
4-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 119352502
N-(2-methoxyethyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 2992280
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 3446298
6-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 43352987
(3S)-N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 124759709
5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 62033036
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
4-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 119171136

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid (CID 62032860) is 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid is CS(=O)(=O)N1CCCC(C(=O)NCCCCC(=O)O)C1.
What is the InChIKey of 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is DMVVHAAHYWBOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-20(18,19)14-8-4-5-10(9-14)12(17)13-7-3-2-6-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid?
5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 306.38 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylsulfonylpiperidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62032860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).